Stefan Kaskel

AIF · company speakers →

New advanced adsorbents are a crucial driver for the development of energy and environmental applications. A tremendous potential is nowadays provided by machine learning and data mining techniques to identify an adsorbent for a particular application. However, the current scientific reporting of adsorption isotherms in graphs and figures is not adequate to reproduce original experimentally measured data. Here we propose the specification of a new standard adsorption information file (AIF) inspired by the ubiquitous crystallographic information file (CIF) and based on the self-defining text archive and retrieval (STAR) procedure, also used to represent biological nuclear magnetic resonance experiments (NMR-STAR) [1]. The AIF is a flexible, general and easily extended free-format archive file and is readily human and machine readable - simple to edit using a basic text editor or parse for database curation. This format represents the first steps toward an open adsorption data format as a basis for a decentralized adsorption data library. Such an open format may facilitate the electronic transmission of adsorption data between laboratories, journals and larger databases in the effort to increase open science in the field of porous materials in future.

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Speaking history

International Conference on Distillation & Absorption

30 August 2026 Salzburg, Austria “A universal standard archive file for adsorption data”

Sectors

manufacturing_industrial

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